methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate

C20H18N2O6S2 — CID 71612287

IUPACmethyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)cc1O
InChIInChI=1S/C20H18N2O6S2/c1-28-20(25)16-9-7-14(11-17(16)23)22-30(26,27)18-10-8-15(29-18)12-21-19(24)13-5-3-2-4-6-13/h2-11,22-23H,12H2,1H3,(H,21,24)
InChIKeyFCIMOPZNLMCVPO-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.97
Rot. Bonds7

About methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate

methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate (PubChem CID 71612287) has the molecular formula C20H18N2O6S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate
PubChem CID71612287
Molecular FormulaC20H18N2O6S2
Molecular Weight446.51 g/mol
Exact Mass446.06
IUPAC Namemethyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)cc1O
InChIInChI=1S/C20H18N2O6S2/c1-28-20(25)16-9-7-14(11-17(16)23)22-30(26,27)18-10-8-15(29-18)12-21-19(24)13-5-3-2-4-6-13/h2-11,22-23H,12H2,1H3,(H,21,24)
InChIKeyFCIMOPZNLMCVPO-UHFFFAOYSA-N
XLogP2.97
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 2813898
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549
methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-hydroxybenzoate
CID 71612164
N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 69210192

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate?
The IUPAC name of methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate (CID 71612287) is methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate?
The canonical SMILES for methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)cc1O.
What is the InChIKey of methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate?
The InChIKey is FCIMOPZNLMCVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S2/c1-28-20(25)16-9-7-14(11-17(16)23)22-30(26,27)18-10-8-15(29-18)12-21-19(24)13-5-3-2-4-6-13/h2-11,22-23H,12H2,1H3,(H,21,24).
What are the key properties of methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate?
methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate has a molecular weight of 446.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate is sourced from PubChem (CID 71612287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).